SCHEMBL30864040

SCHEMBL30864040

Cc1ccc(C(=O)N2CCC3(CCC(CO)OC3)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 3/20 0.40
▸ DDB1 Q16531 2/20 0.40
▸ GFER P55789 1/20 0.38
▸ GABRD O14764 2/20 0.38
▸ GABRA1 P14867 2/20 0.38
▸ GABRB1 P18505 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ GABRA3 P34903 2/20 0.38
▸ GABRA2 P47869 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ GABRA4 P48169 2/20 0.38
▸ HPGD P15428 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ HSD11B1 P28845 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SOS1 Q07889 1/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ PARP1 P09874 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30864098 0.88 CRBN (0.39) CRBNDDB1GFERGABRDGABRA1
SCHEMBL21409346 0.83 GABRD (0.57) CRBNDDB1GABRDGABRA1GABRB1
SCHEMBL30266960 0.82 CRBN (0.42) CRBNDDB1GFERGABRDGABRA1
SCHEMBL28978031 0.82 CRBN (0.42) CRBNDDB1GFERGABRDGABRA1
SCHEMBL30966192 0.82 TNKS (0.46) CRBNDDB1GFERGABRDGABRA1
Hydrochloric Acid SCHEMBL31138067 0.82 GABRD (0.56) CRBNDDB1GABRDGABRA1GABRB1
SCHEMBL30267149 0.81 CRBN (0.47) CRBNDDB1GFERGABRDGABRA1
SCHEMBL30816878 0.81 GABRD (0.42) CRBNDDB1GFERGABRDGABRA1
SCHEMBL30816881 0.81 GABRD (0.42) CRBNDDB1GFERGABRDGABRA1
SCHEMBL30864002 0.80 GABRD (0.41) CRBNDDB1GFERGABRDGABRA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 — — CN disclosed
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